N-[[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamothioyl]-4-phenyl-butanamide

Systemtic Name: N-[[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamothioyl]-4-phenyl-butanamide Openeye Name: N-[[4-[(6,7-dimethoxy-4-quinolyl)oxy]phenyl]carbamothioyl]-4-phenyl-butanamide CAS Name: N-[[4-[(6,7-dimethoxy-4-quinolinyl)oxy]anilino]-sulfanylidenemethyl]-4-phenylbutanamide IUPAC Name: N-[[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamothioyl]-4-phenylbutanamide Traditional Name: N-[[4-[(6,7-dimethoxy-4-quinolyl)oxy]phenyl]thiocarbamoyl]-4-phenyl-butyramide Formula: C28H27N3O4S MolecularWeight: 501.59668

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=CN=C2C=C1OC)OC3=CC=C(C=C3)NC(=S)NC(=O)CCCC4=CC=CC=C4

Isomeric SMILES

COC1=CC2=C(C=CN=C2C=C1OC)OC3=CC=C(C=C3)NC(=S)NC(=O)CCCC4=CC=CC=C4

InChI

InChI=1S/C28H27N3O4S/c1-33-25-17-22-23(18-26(25)34-2)29-16-15-24(22)35-21-13-11-20(12-14-21)30-28(36)31-27(32)10-6-9-19-7-4-3-5-8-19/h3-5,7-8,11-18H,6,9-10H2,1-2H3,(H2,30,31,32,36)